Vitas-M small molecule compound

ethyl 4-[({5-oxo-3-(2-phenylethyl)-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}acetyl)amino]benzoate

Catalog ID
STK021415
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2ccccc2)C(=S)N(C1=O)c1cccc(c1)C(F)(F)F

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H26F3N3O4S MW 569.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26F3N3O4S/c1-2-39-27(38)20-11-13-22(14-12-20)33-25(36)18-24-26(37)35(23-10-6-9-21(17-23)29(30,31)32)28(40)34(24)16-15-19-7-4-3-5-8-19/h3-14,17,24H,2,15-16,18H2,1H3,(H,33,36)
InChIKey
PMVXCTYVGMLCMJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F
CCOC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2ccccc2)C(=S)N(C1=O)c1cccc(c1)C(F)(F)F
ETHYL4(((5OXO3(2PHENYLETHYL)2THIOXO1(3(TRIFLUOROMETHYL)PHENYL)IMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ethyl4((2(5oxo3(2phenylethyl)2sulfanylidene1(3(trifluoromethyl)phenyl)imidazolidin4yl)acetyl)amino)benzoate
ETHYL4((2(5OXO3PHENETHYL2SULFANYLIDENE1(3(TRIFLUOROMETHYL)PHENYL)IMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ethyl4(2(5oxo3phenethyl2thioxo1(3(trifluoromethyl)phenyl)imidazolidin4yl)acetamido)benzoate
InChI=1SC29H26F3N3O4Sc123927(38)20111322(141220)3325(36)182426(37)35(23106921(1723)29(3031)32)28(40)34(24)1615197435819h3141724H2151618H21H3(H3336)
MFCD02142481
STK021415
ZINC000097995523
ZINC000097995524

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.